1-(3-aminocyclobutyl)-2-(oxan-4-yl)ethanone

C11H19NO2 — CID 157249668

IUPAC1-(3-aminocyclobutyl)-2-(oxan-4-yl)ethanone
SMILESNC1CC(C(=O)CC2CCOCC2)C1
InChIInChI=1S/C11H19NO2/c12-10-6-9(7-10)11(13)5-8-1-3-14-4-2-8/h8-10H,1-7,12H2
InChIKeyNQDIRPDZLGANRZ-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.11
Rot. Bonds3

About 1-(3-aminocyclobutyl)-2-(oxan-4-yl)ethanone

1-(3-aminocyclobutyl)-2-(oxan-4-yl)ethanone (PubChem CID 157249668) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(3-aminocyclobutyl)-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name1-(3-aminocyclobutyl)-2-(oxan-4-yl)ethanone
PubChem CID157249668
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-(3-aminocyclobutyl)-2-(oxan-4-yl)ethanone
SMILESNC1CC(C(=O)CC2CCOCC2)C1
InChIInChI=1S/C11H19NO2/c12-10-6-9(7-10)11(13)5-8-1-3-14-4-2-8/h8-10H,1-7,12H2
InChIKeyNQDIRPDZLGANRZ-UHFFFAOYSA-N
XLogP1.11
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminocyclobutyl)-2-(oxan-4-yl)ethanone?
The IUPAC name of 1-(3-aminocyclobutyl)-2-(oxan-4-yl)ethanone (CID 157249668) is 1-(3-aminocyclobutyl)-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 1-(3-aminocyclobutyl)-2-(oxan-4-yl)ethanone?
The canonical SMILES for 1-(3-aminocyclobutyl)-2-(oxan-4-yl)ethanone is NC1CC(C(=O)CC2CCOCC2)C1.
What is the InChIKey of 1-(3-aminocyclobutyl)-2-(oxan-4-yl)ethanone?
The InChIKey is NQDIRPDZLGANRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c12-10-6-9(7-10)11(13)5-8-1-3-14-4-2-8/h8-10H,1-7,12H2.
What are the key properties of 1-(3-aminocyclobutyl)-2-(oxan-4-yl)ethanone?
1-(3-aminocyclobutyl)-2-(oxan-4-yl)ethanone has a molecular weight of 197.28 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminocyclobutyl)-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 157249668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).